arXiv subjects

E. Rasanen

Publications and source records attributed to E. Rasanen.

53 records · Page 3Linked to original sources

arXiv2009

Correlation energy of two-dimensional systems: Toward non-empirical and universal modeling

The capability of density-functional theory to deal with the ground-state of strongly correlated low-dimensional systems, such as semiconductor quantum dots, depends on the accuracy of functionals developed for the exchange and correlation energies. Here we extend a successful approximation for the correlation energy of the three dimensional inhomogeneous electron gas, originally introduced by Becke [J. Chem. Phys. {\bf 88}, 1053 (1988)], to the two-dimensional case. The approach aims to non-empirical modeling of the correlation-hole functions satisfying a set of exact properties. Furthermore, the electron current and spin are explicitly taken into account. As a result, good performance is obtained in comparison with numerically exact data for quantum dots with varying external magnetic field, and for the homogeneous two-dimensional electron gas, respectively.

cond-mat.str-el↗

arXiv2008

Density gradients for the exchange energy of electrons in two dimensions

We derive a generalized gradient approximation to the exchange energy to be used in density functional theory calculations of two-dimensional systems. This class of approximations has a long and successful history, but it has not yet been fully investigated for electrons in two dimensions. We follow the approach originally proposed by Becke for three-dimensional systems [Int. J. Quantum Chem. 23, 1915 (1983), J. Chem. Phys. 85, 7184 (1986)]. The resulting functional depends on two parameters that are adjusted to a test set of parabolically confined quantum dots. Our exchange functional is then tested on a variety of systems with promising results, reducing the error in the exchange energy by a factor of 4 with respect to the simple local density approximation.

cond-mat.str-el↗

arXiv2008

Pfaffian and fragmented states at nu=5/2 in quantum Hall droplets

When a gas of electrons is confined to two dimensions, application of a strong magnetic field may lead to startling phenomena such as emergence of electron pairing. According to a theory this manifests itself as appearance of the fractional quantum Hall effect with a quantized conductivity at an unusual half-integer nu=5/2 Landau level filling. Here we show that similar electron pairing may occur in quantum dots where the gas of electrons is trapped by external electric potentials into small quantum Hall droplets. However, we also find theoretical and experimental evidence that, depending on the shape of the external potential, the paired electron state can break down, which leads to a fragmentation of charge and spin densities into incompressible domains. The fragmentation of the quantum Hall states could be an issue in the proposed experiments that aim to probe for non-abelian quasi-particle characteristics of the nu=5/2 quantum Hall state.

cond-mat.mes-hall↗

arXiv2008

Local correlation functional for electrons in two dimensions

We derive a local approximation for the correlation energy in two-dimensional electronic systems. In the derivation we follow the scheme originally developed by Colle and Salvetti for three dimensions, and consider a Gaussian approximation for the pair density. Then, we introduce an ad-hoc modification which better accounts for both the long-range correlation, and the kinetic-energy contribution to the correlation energy. The resulting functional is local, and depends parametrically on the number of electrons in the system. We apply this functional to the homogeneous electron gas and to a set of two-dimensional quantum dots covering a wide range of electron densities and thus various amounts of correlation. In all test cases we find an excellent agreement between our results and the exact correlation energies. Our correlation functional has a form that is simple and straightforward to implement, but broadly outperforms the commonly used local-density approximation.

cond-mat.str-el↗

arXiv2008

Electron localization function for two-dimensional systems

The concept of the electron localization function (ELF) is extended to two-dimensional (2D) electron systems. We show that the topological properties of the ELF in 2D are considerably simpler than in molecules studied previously. We compute the ELF and demonstrate its usefulness for various physical 2D systems, focusing on semiconductor quantum dots that effectively correspond to a confined 2D electron gas. The ELF visualizes the shell structure of harmonic quantum dots and provides insight into electron bonding in quantum-dot molecules. In external magnetic fields the ELF is found to be a useful measure of vorticity when analyzing the properties of quantum-Hall droplets. We show that the current-dependent term in the ELF expression is important in magnetic fields.

cond-mat.str-el↗

arXiv2007

Exchange-energy functionals for finite two-dimensional systems

Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole potentials and exchange energies is found when compared with the exact-exchange reference data for the two-dimensional uniform electron gas and few-electron quantum dots, respectively. Thereby, this work significantly improves the availability of approximate density functionals for dealing with electrons in quasi-two-dimensional structures, which have various applications in semiconductor nanotechnology.

cond-mat.str-el↗

arXiv2007

Optimal laser-control of double quantum dots

Coherent single-electron control in a realistic semiconductor double quantum dot is studied theoretically. Using optimal-control theory we show that the energy spectrum of a two-dimensional double quantum dot has a fully controllable transition line. We find that optimized picosecond laser pulses generate population transfer at significantly higher fidelities (>0.99) than conventional sinusoidal pulses. Finally we design a robust and fast charge switch driven by optimal pulses that are within reach of terahertz laser technology.

cond-mat.other↗

arXiv2007

Spin-droplets in confined quantum Hall systems

Two-dimensional semiconductor quantum dots are studied in the the filling-factor range 2<v<3. We find both theoretical and experimental evidence of a collective many-body phenomenon, where a fraction of the trapped electrons form an incompressible spin-droplet on the highest occupied Landau level. The phenomenon occurs only when the number of electrons in the quantum dot is larger than ~30. We find the onset of the spin-droplet regime at v=5/2. This proposes a finite-geometry alternative to the Moore-Read-type Pfaffian state of the bulk two-dimensional electron gas. Hence, the spin-droplet formation may be related to the observed fragility of the v=5/2 quantum Hall state in narrow quantum point contacts.

cond-mat.str-el↗

arXiv2007

Optimal Control of Quantum Rings by Terahertz Laser Pulses

Complete control of single-electron states in a two-dimensional semiconductor quantum-ring model is established, opening a path into coherent laser-driven single-gate qubits. The control scheme is developed in the framework of optimal control theory for laser pulses of two-component polarization. In terms of pulse lengths and target-state occupations, the scheme is shown to be superior to conventional control methods that exploit Rabi oscillations generated by uniform circularly polarized pulses. Current-carrying states in a quantum ring can be used to manipulate a two-level subsystem at the ring center. Combining our results, we propose a realistic approach to construct a laser-driven single-gate qubit that has switching times in the terahertz regime.

cond-mat.other↗

arXiv2006

Giant vortices in rotating electron droplets

We predict the formation of giant vortices in quasi-two-dimensional quantum dots at high magnetic fields, i.e., in rapidly rotating electron droplets. Our numerical results of quantum dots confined by a flat, anharmonic potential show ground states where vortices are accumulated in the center of the dot, thereby leading to large cores in the electron and current densities. The phenomenon is analogous to what was recently found in rotating Bose-Einstein condensates. The giant-vortex states leave measurable signatures in the ground-state energetics. The conditions for the giant-vortex formation as well as the internal structure of the vortex cores are discussed.

cond-mat.str-el↗

arXiv2006

Geometric and impurity effects on quantum rings in magnetic fields

We investigate the effects of impurities and changing ring geometry on the energetics of quantum rings under different magnetic field strengths. We show that as the magnetic field and/or the electron number are/is increased, both the quasiperiodic Aharonov-Bohm oscillations and various magnetic phases become insensitive to whether the ring is circular or square in shape. This is in qualitative agreement with experiments. However, we also find that the Aharonov-Bohm oscillation can be greatly phase-shifted by only a few impurities and can be completely obliterated by a high level of impurity density. In the many-electron calculations we use a recently developed fourth-order imaginary time projection algorithm that can exactly compute the density matrix of a free-electron in a uniform magnetic field.

cond-mat.str-el↗

arXiv2006

Half-Integer Filling Factor States in Quantum Dots

Emergence of half-integer filling factor states, such as nu=5/2 and 7/2, is found in quantum dots by using numerical many-electron methods. These states have interesting similarities and differences with their counterstates found in the two-dimensional electron gas. The nu=1/2 states in quantum dots are shown to have high overlaps with the composite fermion states. The lower overlap of the Pfaffian state indicates that electrons might not be paired in quantum dot geometry. The predicted nu=5/2 state has high spin polarization which may have impact on the spin transport through quantum dot devices.

cond-mat.mes-hall↗

arXiv2004

Stability of the shell structure in 2D quantum dots

We study the effects of external impurities on the shell structure in semiconductor quantum dots by using a fast response-function method for solving the Kohn-Sham equations. We perform statistics of the addition energies up to 20 interacting electrons. The results show that the shell structure is generally preserved even if effects of high disorder are clear. The Coulomb interaction and the variation in ground-state spins have a strong effect on the addition-energy distributions, which in the noninteracting single-electron picture correspond to level statistics showing mixtures of Poisson and Wigner forms.

cond-mat.str-el↗

arXiv2004

Stability of vortex structures in quantum dots

We study the stability and structure of vortices emerging in two-dimensional quantum dots in high magnetic fields. Our results obtained with exact diagonalization and density-functional calculations show that vortex structures can be found in various confining potentials. In non-symmetric external potentials we find off-electron vortices that are localized giving rise to charge deficiency or holes in the electron density with rotating currents around them. We discuss the role of quantum fluctuations and show that vortex formation is observable in the energetics of the system. Our findings suggest that vortices can be used to characterize the solutions in high magnetic fields, giving insight into the underlying internal structure of the electronic wave function.

cond-mat.mes-hall↗

arXiv2004

Impurity effects in quantum dots: Towards quantitative modeling

We have studied the single-electron transport spectrum of a quantum dot in GaAs/AlGaAs resonant tunneling device. The measured spectrum has irregularities indicating a broken circular symmetry. We model the system with an external potential consisting of a parabolic confinement and a negatively charged Coulombic impurity placed in the vicinity of the quantum dot. The model leads to a good agreement between the calculated single-electron eigenenergies and the experimental spectrum. Furthermore, we use the spin-density-functional theory to study the energies and angular momenta when the system contains many interacting electrons. In the high magnetic field regime the increasing electron number is shown to reduce the distortion induced by the impurity.

cond-mat.str-el↗

arXiv2003

Broken Symmetry in Density-Functional Theory: Analysis and Cure

We present a detailed analysis of the broken-symmetry mean-field solutions using a four-electron rectangular quantum dot as a model system. Comparisons of the density-functional theory predictions with the exact ones show that the symmetry breaking results from the single-configuration wave function used in the mean-field approach. As a general cure we present a scheme that systematically incorporates several configurations into the density-functional theory and restores the symmetry. This cure is easily applicable to any density-functional approach.

cond-mat↗

arXiv2002

Wigner molecules in polygonal quantum dots: A density functional study

We investigate the properties of many-electron systems in two-dimensional polygonal (triangle, square, pentagon, hexagon) potential wells by using the density functional theory. The development of the ground state electronic structure as a function of the dot size is of particular interest. First we show that in the case of two electrons, the Wigner molecule formation agrees with the previous exact diagonalization studies. Then we present in detail how the spin symmetry breaks in polygonal geometries as the spin density functional theory is applied. In several cases with more than two electrons, we find a transition to the crystallized state, yielding coincidence with the number of density maxima and the electron number. We show that this transition density, which agrees reasonably well with previous estimations, is rather insensitive to both the shape of the dot and the electron number.

cond-mat.str-el↗